Skip to main content

Scaling exchange and correlation in the on-top density functional of multiconfiguration pair-density functional theory: effect on electronic excitation energies and bond energies

Electronic Structure - Modeling Properties

Publication Details

  • Authors: D. Presti, J. Kadlec, D. G. Truhlar, and L. Gagliardi
  • Publication Number: 354
  • Year: 2020
  • Journal: Theor. Chem. Acc.

Full Citation

D. Presti, J. Kadlec, D. G. Truhlar, and L. Gagliardi, Scaling exchange and correlation in the on-top density functional of multiconfiguration pair-density functional theory: effect on electronic excitation energies and bond energies, Theor. Chem. Acc., 2020, 139, 30. DOI: 10.1007/s00214-019-2539-6